Chemical partitioning for the Co--Pr system: First-principles, experiments and energetic calculations to investigate the hard magnetic phase

Journal Article · Sat Nov 14 00:00:00 EST 2015 · Materials & Design

DOI:https://doi.org/10.1016/j.matdes.2015.11.058· OSTI ID:1226907

Zhou, S. H. ^[1]; Kramer, M. J. ^[2]; Meng, F. Q. ^[1]; McCallum, R. W. ^[2]; Ott, R. T. ^[1]

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1. Ames Lab., Ames, IA (United States)
2. Ames Lab., Ames, IA (United States); Iowa State Univ., Ames, IA (United States)

Co₅Pr-D2_d is promising permanent magnet. Due to its peritectic formation feature, there is a synthetic challenge to produce single Co₅Pr-D2_d phase. The object of our study is to assess thermodynamic pathways for crystalline phases under far-from-equilibrium conditions by combining first-principles calculations and experimental measurements into a robust description of the thermodynamic behavior. The energetic calculations, temperature and time dependent phase selections are predicted under varying degrees of chemical partitioning. Our calculation to assess the chemical partitioning-temperatures indicates that the major magnetic compounds: Co₁₇Pr₂-α, Co₅Pr-D2_d, Co₁₉Pr₅-β, and Co₇Pr₂-χ form from a congruent manner to eutectic reactions with decreasing cooling rate. The compositions of the compounds from these highly driven liquids can be far from equilibrium.

• Research Organization: Ames Lab., Ames, IA (United States)
• Sponsoring Organization: USDOE
• Grant/Contract Number: AC02-07CH11358
• OSTI ID: 1226907
• Alternate ID(s): OSTI ID: 1397673
• Report Number(s): IS-J-8531; PII: S0264127515308005
• Journal Information: Materials & Design, Vol. 90, Issue C; ISSN 0264-1275
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
first-principles calculation
energetic calculation
nonequilibrium phase transformation
chemical partitioning
hard magnetic Co5Pr-D2d